(4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine

C14H16FN3O — CID 103571272

IUPAC(4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESCCn1cc(C2C[C@@H](N)c3cc(F)ccc3O2)cn1
InChIInChI=1S/C14H16FN3O/c1-2-18-8-9(7-17-18)14-6-12(16)11-5-10(15)3-4-13(11)19-14/h3-5,7-8,12,14H,2,6,16H2,1H3/t12-,14?/m1/s1
InChIKeyZJNNUSYKKKNFRQ-PUODRLBUSA-N
MW261.30 g/mol
LogP2.57
Rot. Bonds2

About (4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103571272) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is (4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID103571272
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name(4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESCCn1cc(C2C[C@@H](N)c3cc(F)ccc3O2)cn1
InChIInChI=1S/C14H16FN3O/c1-2-18-8-9(7-17-18)14-6-12(16)11-5-10(15)3-4-13(11)19-14/h3-5,7-8,12,14H,2,6,16H2,1H3/t12-,14?/m1/s1
InChIKeyZJNNUSYKKKNFRQ-PUODRLBUSA-N
XLogP2.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 103571272) is (4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is CCn1cc(C2C[C@@H](N)c3cc(F)ccc3O2)cn1.
What is the InChIKey of (4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZJNNUSYKKKNFRQ-PUODRLBUSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-18-8-9(7-17-18)14-6-12(16)11-5-10(15)3-4-13(11)19-14/h3-5,7-8,12,14H,2,6,16H2,1H3/t12-,14?/m1/s1.
What are the key properties of (4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103571272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).